BindingDB logo
myBDB logout

null

SMILES: COC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C

InChI Key: InChIKey=BEDLQPNCZAQYTA-AVGNSLFASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369699   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))		BDBM369699
PNG
(US10233156, Example I-239)
Show SMILES COC(=O)N[C@@H](CF)CO[C@H]1CC[C@@H](CC1)Oc1nc2c(F)cc(OCC(F)F)c(F)c2n1C |r,wU:10.9,5.4,wD:13.16,(12.02,-1.06,;10.69,-.29,;9.35,-1.06,;9.35,-2.6,;8.02,-.29,;6.68,-1.06,;6.68,-2.6,;5.35,-3.37,;5.35,-.29,;4.02,-1.06,;2.68,-.29,;1.35,-1.06,;.02,-.29,;.02,1.25,;1.35,2.02,;2.68,1.25,;-1.32,2.02,;-2.65,1.25,;-2.81,-.28,;-4.32,-.6,;-5.09,-1.93,;-4.32,-3.27,;-6.63,-1.93,;-7.4,-.6,;-8.94,-.6,;-9.71,-1.93,;-11.25,-1.93,;-12.02,-3.27,;-12.02,-.6,;-6.63,.73,;-7.4,2.07,;-5.09,.73,;-4.06,1.88,;-4.46,3.37,)|
Show InChI InChI=1S/C21H26F5N3O5/c1-29-19-17(26)15(33-10-16(24)25)7-14(23)18(19)28-20(29)34-13-5-3-12(4-6-13)32-9-11(8-22)27-21(30)31-2/h7,11-13,16H,3-6,8-10H2,1-2H3,(H,27,30)/t11-,12-,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (5...

J Med Chem 50: 641-62 (2007)


BindingDB Entry DOI: 10.7270/Q2C53P4Z
More data for this
Ligand-Target Pair